2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C20H18F2N2O3S — CID 9343710

IUPAC2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)ccc1OC(F)F
InChIInChI=1S/C20H18F2N2O3S/c1-12-5-3-4-6-14(12)23-18(25)10-19-24-15(11-28-19)13-7-8-16(27-20(21)22)17(9-13)26-2/h3-9,11,20H,10H2,1-2H3,(H,23,25)
InChIKeyVMQOQMWBSBQWPN-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.91
Rot. Bonds7

About 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 9343710) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID9343710
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)ccc1OC(F)F
InChIInChI=1S/C20H18F2N2O3S/c1-12-5-3-4-6-14(12)23-18(25)10-19-24-15(11-28-19)13-7-8-16(27-20(21)22)17(9-13)26-2/h3-9,11,20H,10H2,1-2H3,(H,23,25)
InChIKeyVMQOQMWBSBQWPN-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
[2-(2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607046
2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)benzoate
CID 41029966
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154725794

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 9343710) is 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is COc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)ccc1OC(F)F.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is VMQOQMWBSBQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-12-5-3-4-6-14(12)23-18(25)10-19-24-15(11-28-19)13-7-8-16(27-20(21)22)17(9-13)26-2/h3-9,11,20H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 404.44 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9343710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).